Benzyl 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate - CAS 913376-52-0
Catalog: |
BB040127 |
Product Name: |
Benzyl 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate |
CAS: |
913376-52-0 |
Synonyms: |
1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester; benzyl 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate |
IUPAC Name: | benzyl 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylate |
Description: | Benzyl 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS# 913376-52-0 ) is a useful research chemical. |
Molecular Weight: | 380.44 |
Molecular Formula: | C22H24N2O4 |
Canonical SMILES: | CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C22H24N2O4/c1-16-19(21(26)28-14-17-10-6-4-7-11-17)20(25)24(18-12-8-5-9-13-18)23(16)15-22(2,3)27/h4-13,27H,14-15H2,1-3H3 |
InChI Key: | VKCNSUXVDPWXHN-UHFFFAOYSA-N |
LogP: | 3.07530 |
Publication Number | Title | Priority Date |
AU-2008205252-A1 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
AU-2008205252-B2 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
CA-2673652-A1 | Bis-aryl amide derivatives and methods of use | 20070109 |
EP-2118069-A2 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
EP-2118069-B1 | Bis-aryl amide derivatives useful for the treatment of cancer | 20070109 |
Complexity: | 616 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.17360725 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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